2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid

C10H18N2O4 — CID 81078544

IUPAC2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)CNCC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-6-8(10(14)15)12-9(13)5-11-4-7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyDPCYNGIUKFRNNU-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.80
Rot. Bonds8

About 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid

2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid (PubChem CID 81078544) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
PubChem CID81078544
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)CNCC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-6-8(10(14)15)12-9(13)5-11-4-7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyDPCYNGIUKFRNNU-UHFFFAOYSA-N
XLogP-0.80
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071
methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
CID 119709040
(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 89002715
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
2-(cyclopropylmethylamino)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795716
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
3-methoxy-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 81080047
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
2-(cyclopropylmethylamino)-N-(1-hydroxypropan-2-yl)acetamide
CID 60841587
2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 113399333

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid (CID 81078544) is 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)CNCC1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid?
The InChIKey is DPCYNGIUKFRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-6-8(10(14)15)12-9(13)5-11-4-7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid?
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81078544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).