2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid

C10H18N2O3 — CID 79022935

IUPAC2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC[C@H](N)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H18N2O3/c1-2-8(11)10(15)12(6-9(13)14)5-7-3-4-7/h7-8H,2-6,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyMGUSOKLKCVDJEX-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds6

About 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid

2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 79022935) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID79022935
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC[C@H](N)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H18N2O3/c1-2-8(11)10(15)12(6-9(13)14)5-7-3-4-7/h7-8H,2-6,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyMGUSOKLKCVDJEX-QMMMGPOBSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid
CID 54125507
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655374

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid (CID 79022935) is 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid is CC[C@H](N)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is MGUSOKLKCVDJEX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-8(11)10(15)12(6-9(13)14)5-7-3-4-7/h7-8H,2-6,11H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 79022935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).