(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

C19H35N3O5 — CID 15927715

IUPAC(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N[C@H](CCCCCCCCCN)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H35N3O5/c1-14(17(23)22-13-9-11-16(22)19(26)27)21-15(18(24)25)10-7-5-3-2-4-6-8-12-20/h14-16,21H,2-13,20H2,1H3,(H,24,25)(H,26,27)/t14-,15+,16-/m0/s1
InChIKeyVNKQEVZONOYKBK-XHSDSOJGSA-N
MW385.51 g/mol
LogP1.57
Rot. Bonds14

About (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 15927715) has the molecular formula C19H35N3O5 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID15927715
Molecular FormulaC19H35N3O5
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC Name(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N[C@H](CCCCCCCCCN)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H35N3O5/c1-14(17(23)22-13-9-11-16(22)19(26)27)21-15(18(24)25)10-7-5-3-2-4-6-8-12-20/h14-16,21H,2-13,20H2,1H3,(H,24,25)(H,26,27)/t14-,15+,16-/m0/s1
InChIKeyVNKQEVZONOYKBK-XHSDSOJGSA-N
XLogP1.57
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[(2S)-2-[(9-amino-1-ethoxy-1-oxononan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70054474
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-6-piperidin-4-ylhexyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 15927647
(2S)-1-[(2S)-6-amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 6321211
(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 67395242
(2S)-1-[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 53308269
1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18221079
CID 91986718
CID 91986718
(2R)-1-[(2R)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid;dihydrate
CID 133126820
(2S)-1-[2-[[(1S)-1-carboxy-5-(phenylmethoxycarbonylamino)pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 22822724
1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18235595
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 15927715) is (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](N[C@H](CCCCCCCCCN)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VNKQEVZONOYKBK-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H35N3O5/c1-14(17(23)22-13-9-11-16(22)19(26)27)21-15(18(24)25)10-7-5-3-2-4-6-8-12-20/h14-16,21H,2-13,20H2,1H3,(H,24,25)(H,26,27)/t14-,15+,16-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 385.51 g/mol, XLogP of 1.57, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15927715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).