(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate

C19H28N3O5- — CID 8008975

IUPAC(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate
SMILESC[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C19H29N3O5/c1-9(17(24)22-14(19(26)27)2-3-15(20)23)21-18(25)16-12-5-10-4-11(7-12)8-13(16)6-10/h9-14,16H,2-8H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/p-1/t9-,10?,11?,12?,13?,14+,16?/m1/s1
InChIKeyZEGUMFFADBKMSG-LSPCLFAPSA-M
MW378.45 g/mol
LogP-0.94
Rot. Bonds8

About (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate

(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate (PubChem CID 8008975) has the molecular formula C19H28N3O5- and a molecular weight of 378.45 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate
PubChem CID8008975
Molecular FormulaC19H28N3O5-
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Name(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate
SMILESC[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C19H29N3O5/c1-9(17(24)22-14(19(26)27)2-3-15(20)23)21-18(25)16-12-5-10-4-11(7-12)8-13(16)6-10/h9-14,16H,2-8H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/p-1/t9-,10?,11?,12?,13?,14+,16?/m1/s1
InChIKeyZEGUMFFADBKMSG-LSPCLFAPSA-M
XLogP-0.94
TPSA141.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
CID 23077146
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
(2S)-5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 6993253
5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 18223791
(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate
CID 7077326
5-amino-2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18485128
2-[[5-amino-2-[2-[(2-aminoacetyl)amino]propanoylamino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 23054998
2-[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]propanoylamino]butanedioic acid
CID 18487130
sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate
CID 172718737
5-amino-2-[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid
CID 22619185
5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18232688

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate?
The IUPAC name of (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate (CID 8008975) is (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate.
What is the SMILES notation for (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate?
The canonical SMILES for (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate is C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate?
The InChIKey is ZEGUMFFADBKMSG-LSPCLFAPSA-M. The full InChI is InChI=1S/C19H29N3O5/c1-9(17(24)22-14(19(26)27)2-3-15(20)23)21-18(25)16-12-5-10-4-11(7-12)8-13(16)6-10/h9-14,16H,2-8H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/p-1/t9-,10?,11?,12?,13?,14+,16?/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate?
(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate has a molecular weight of 378.45 g/mol, XLogP of -0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate is sourced from PubChem (CID 8008975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).