2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid

C14H26N4O5 — CID 71424310

IUPAC2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C14H26N4O5/c1-9(13(22)16-8-12(20)21)18-14(23)10(2)17-11(19)6-4-3-5-7-15/h9-10H,3-8,15H2,1-2H3,(H,16,22)(H,17,19)(H,18,23)(H,20,21)/t9-,10-/m0/s1
InChIKeyMXGVFGZNIRRZLB-UWVGGRQHSA-N
MW330.39 g/mol
LogP-1.28
Rot. Bonds11

About 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid (PubChem CID 71424310) has the molecular formula C14H26N4O5 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
PubChem CID71424310
Molecular FormulaC14H26N4O5
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C14H26N4O5/c1-9(13(22)16-8-12(20)21)18-14(23)10(2)17-11(19)6-4-3-5-7-15/h9-10H,3-8,15H2,1-2H3,(H,16,22)(H,17,19)(H,18,23)(H,20,21)/t9-,10-/m0/s1
InChIKeyMXGVFGZNIRRZLB-UWVGGRQHSA-N
XLogP-1.28
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424311
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
CID 101100546
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]acetic acid
CID 89183168
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
CID 119750951
7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
CID 119785013
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
7-[2-(carbamoylamino)propanoylamino]heptanoic acid
CID 43358941
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(octadecanoylamino)hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoic acid
CID 44612560

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid (CID 71424310) is 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid is C[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
The InChIKey is MXGVFGZNIRRZLB-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H26N4O5/c1-9(13(22)16-8-12(20)21)18-14(23)10(2)17-11(19)6-4-3-5-7-15/h9-10H,3-8,15H2,1-2H3,(H,16,22)(H,17,19)(H,18,23)(H,20,21)/t9-,10-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid has a molecular weight of 330.39 g/mol, XLogP of -1.28, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 71424310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).