(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid

C8H18N2O2 — CID 18639751

IUPAC(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-6(2)10-7(8(11)12)4-3-5-9/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyZDNGHSXYPNGLMT-ZETCQYMHSA-N
MW174.24 g/mol
LogP0.18
Rot. Bonds6

About (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid

(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid (PubChem CID 18639751) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
PubChem CID18639751
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-6(2)10-7(8(11)12)4-3-5-9/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyZDNGHSXYPNGLMT-ZETCQYMHSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
CID 102061405
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid
CID 18605801
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
(2S)-5-amino-2-(ethenylamino)pentanoic acid
CID 172797723
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
(2S)-6-amino-2-[(1-carboxy-3-oxobutyl)amino]hexanoic acid
CID 175733875
(2R)-6-amino-2-methylhexanoic acid
CID 92976969

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid (CID 18639751) is (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid is CC(C)N[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is ZDNGHSXYPNGLMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)10-7(8(11)12)4-3-5-9/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid?
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 18639751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).